SCHEMBL9059775

SCHEMBL9059775

CNC(=Nc1ccccc1N1CCOCC1)NC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
AKR1C3 P42330 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.40
SCN9A Q15858 1/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PDE4A P27815 1/20 0.39
NPC1 O15118 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9061174 0.89 SMN1; SMN2 (0.41) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9424153 0.89 ALOX15 (0.39) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9061168 0.89 SMN1; SMN2 (0.41) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9424151 0.89 ALOX15 (0.39) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9424242 0.87 SMN1; SMN2 (0.42) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9424240 0.87 SMN1; SMN2 (0.42) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9060394 0.87 ALDH1A1 (0.42) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9060397 0.87 ALDH1A1 (0.42) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9424074 0.86 KDM4E (0.42) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9424071 0.86 KDM4E (0.42) ALOX15HSD17B10ALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1037346-C Therapeutic agents BOOTS CO LTD (GB) 1998-02-11 CN disclosed
WO-1996017612-A1 USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA KNOLL AKTIENGESELLSCHAFT (DE) 1996-06-13 WO disclosed
US-5373008-A Phenylamidine and phenylguanidine derivatives and their use as anti-diabetic agents THE BOOTS COMPANT PLC. (GB) 1994-12-13 US disclosed
US-5223498-A Hypoglycemic agents THE BOOTS COMPANY PLC (GB) 1993-06-29 US disclosed
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP disclosed
CN-1057648-A Therapeutical agent BOOTS CO PLC (GB) 1992-01-08 CN disclosed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP disclosed